Crystallography Open Database

Information card for entry 7205501

7205500 << 7205501 >> 7205502

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Coordinates	7205501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H47 B F24 Mo N4 O4
Calculated formula	C60 H47 B F24 Mo N4 O4
Title of publication	Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation
Authors of publication	Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	60
a	12.48 ± 0.005 Å
b	13.029 ± 0.005 Å
c	21.067 ± 0.005 Å
α	83.95 ± 0.005°
β	73.541 ± 0.005°
γ	86.462 ± 0.005°
Cell volume	3265 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.2397
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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